REMARK  Name = BDB011664
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.117  -2.009   0.958  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1        1.096  -1.130   0.545  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1        0.796  -0.274   0.090  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.325  -3.048   1.575  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.451  -1.192   0.714  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        3.261   0.027   0.414  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1        2.777   1.034  -0.084  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1        4.585  -0.253   0.748  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1        4.660  -1.631   1.106  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1        5.521  -1.906   2.264  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1        3.342  -2.127   1.085  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        3.100  -3.572   1.380  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1        5.713   0.349   0.035  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        5.657   0.097  -1.477  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        6.922   0.592  -2.183  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1        7.567   1.803  -1.507  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1        6.546   2.647  -0.757  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        5.855   1.851   0.353  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1       -1.228   1.015   1.092  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1       -1.828  -0.264   0.642  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1       -3.119  -0.459   0.189  0.00  0.00    +0.196 A 
ATOM     22  O   LIG    1       -3.308  -1.780  -0.066  0.00  0.00    -0.353 OA
ATOM     23  N   LIG    1       -2.153  -2.479   0.203  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1       -1.247  -1.575   0.609  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -4.282   0.444  -0.020  0.00  0.00    +0.322 C 
ATOM     26  O   LIG    1       -5.111  -0.073  -1.063  0.00  0.00    -0.339 OA
ATOM     27  C   LIG    1       -6.393  -0.328  -0.471  0.00  0.00    +0.153 C 
ATOM     28  C   LIG    1       -6.112  -0.364   1.022  0.00  0.00    +0.195 C 
ATOM     29  O   LIG    1       -5.011   0.525   1.206  0.00  0.00    -0.342 OA
BRANCH  27  30
ATOM     30  C   LIG    1       -7.441   0.718  -0.958  0.00  0.00    -0.009 C 
ATOM     31  C   LIG    1       -7.099   2.155  -0.528  0.00  0.00    +0.013 C 
ATOM     32  C   LIG    1       -7.505   0.685  -2.501  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1       -8.837   0.358  -0.414  0.00  0.00    +0.013 C 
ENDBRANCH  27  30
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 5